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CAS 122341-38-2 Temoporfin molecular structure lightbox
CAS RN: 122341-38-2

Temoporfin

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260121 25mg Out of stock 5-7 business days Inquiry
Batchno.20260104 2mg In stock Shanghai, Shandong Inquiry
Batchno.20251224 5mg In stock Shandong, Guangdong Inquiry
  • Product code: starshine_CAS122341-38-2
  • Purity/Analytical Methods: >99.0%
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122341-38-2 / 3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol

Standard CAS: 122341-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122341-38-2
Multi CAS
No
Molecular Formula
C44H32N4O4
Molecular Weight
680.700000
Exact Mass
680.242356
SMILES
C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O
InChI
InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2
InChIKey
LYPFDBRUNKHDGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
44
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
6
Molar refractivity
205.74
TPSA
138.28

LogP / Solubility

WLOGP
9.76
MLOGP
8.65
XLogP3
8.8
Consensus LogP
9.07
Log S (ESOL)
-10.57
Class (ESOL)
Insoluble
Log S (Ali)
-12.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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